2-[(3-Chlorophenyl)sulfanyl]-5-[3-(trifluoromethyl)phenyl]nicotinonitrile
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Basic information
- CAS
338964-73-1- Standard SMILES
N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Sc1cccc(Cl)c1- InChIKey
HNNAMOVPWFQJEO-UHFFFAOYSA-N- Molecular formula
- C19H10ClF3N2S
- Average molar mass
- 390.8 g/mol
- Monoisotopic mass
- 390.0205317
Names & identifiers
- Preferred name
- 2-[(3-Chlorophenyl)sulfanyl]-5-[3-(trifluoromethyl)phenyl]nicotinonitrile
- IUPAC
- 2-(3-chlorophenyl)sulfanyl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
- English name
- 2-[(3-CHLOROPHENYL)SULFANYL]-5-[3-(TRIFLUOROMETHYL)PHENYL]NICOTINONITRILE
- Molecular formula
- C19H10ClF3N2S
- Molecular weight
- 390.81
Names & synonyms
338964-73-12-[(3-chlorophenyl)sulfanyl]-5-[3-(trifluoromethyl)phenyl]nicotinonitrile2-[(3-chlorophenyl)sulfanyl]-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile2-(3-chlorophenyl)sulfanyl-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrileBionet1_001597HMS572L19AKOS0050974696J-570S2-((3-Chlorophenyl)thio)-5-(3-(trifluoromethyl)phenyl)nicotinonitrile3-Pyridinecarbonitrile, 2-[(3-chlorophenyl)thio]-5-[3-(trifluoromethyl)phenyl]-
Database identifiers
- CAS
338964-73-1- PubChem CID
- 3697825
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 62 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 521
Related reactions
0 records
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Compound notes
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